Ethyl 2-(4-(difluoromethyl)-6-hydroxy-3-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl)acetate CAS 1018170-72-3
| CAS No. | 1018170-72-3 |
| Molecular Formula | C12H13F2N3O3 |
| Molecular Weight | 285.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-(4-(difluoromethyl)-6-hydroxy-3-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl)acetate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 2-(4-(difluoromethyl)-6-hydroxy-3-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl)acetate (CAS 1018170-72-3), molecular formula C12H13F2N3O3 and molecular weight 285.25 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Ethyl 2-(4-(difluoromethyl)-6-hydroxy-3-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl)acetate (C12H13F2N3O3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C12H13F2N3O3 |
| Molecular Weight | 285.25 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Ethyl Standards
- 3-[4-(difluoromethyl)-2,3-dimethyl-6-oxo-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid (CAS 1018126-77-6)
- Methyl 3-(4-(difluoromethyl)-2-methyl-6-oxo-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl)propanoate (CAS 1018127-98-4)
- 3-[4-(difluoromethyl)-2-ethyl-6-oxo-2h,6h,7h-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid (CAS 1018164-06-1)
- Ethyl 7-(difluoromethyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 1706437-88-8)
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- 2-(Chloromethoxy)propane (CAS 3587-58-4)
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- Semaglutide impurity 24 (CAS CATO-C4X-222624)
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